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CAS 1638771-95-5 ethyl 2-(3-hydroxyoxetan-3-yl)acetate molecular structure lightbox
CAS RN: 1638771-95-5

ethyl 2-(3-hydroxyoxetan-3-yl)acetate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-071469
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1638771-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1638771-95-5 / ethyl 2-(3-hydroxyoxetan-3-yl)acetate

Standard CAS: 1638771-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638771-95-5
Multi CAS
No
Molecular Formula
C7H12O4
Molecular Weight
160.170000
Exact Mass
160.073559
SMILES
CCOC(=O)CC1(COC1)O
InChI
InChI=1S/C7H12O4/c1-2-11-6(8)3-7(9)4-10-5-7/h9H,2-5H2,1H3
InChIKey
LJRLSZXLEWSWQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.02
TPSA
55.76

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.27
XLogP3
-0.2
Consensus LogP
-0.26
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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